 | Constructing computational model of a molecule To computationally construct the molecules from different atoms to use it for further research like drug designing etc. |
| Introducing Hydrogen atoms to a molecule To add hydrogen atoms so as to balance the bonds to make the molecule stable. |
| Dihedral angle calculation of a molecule To calculate the dihedral angle of a molecule |
| Energy minimization of a molecule To construct a molecule whose energy is minimized so as to attain a stable conformation |
| Predict the structure of protein-Homology Modeling Predicting the structure of a protein molecule using Homology modeling. |
| Drug-Receptor Interaction To check for the drug receptor interaction using docking studies |
| Absorption and Distribution Property Prediction in Drug Designing Process To calculate the absorption and distribution rate of a drug |
| Toxicity prediction of a Molecule To predict the toxicity of drug molecule using insilico approaches |
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